4-(((4-bromophenyl)imino)methyl)phenyl octanoate | 1354651-98-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 4-(((4-bromophenyl)imino)methyl)phenyl octanoate
• CAS: 1354651-98-1
• 化学式: C₂₁H₂₄BrNO₂
• 分子量: 402.331
• InChiKey: RABDPNCIIACRSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.47
• 重原子数：
  25.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  38.66
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  4-溴苯胺 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 9.0h， 生成 4-(((4-bromophenyl)imino)methyl)phenyl octanoate
  参考文献：
  名称：

  Mesomorphic behaviour of new azomethine liquid crystals having terminal bromo substituent

  摘要：

  A homologous series of azomethine esters, 4-n-alkanoyloxybenzylidene-4'-bromoanilines possessing even number of carbon atoms at the terminal alkanoyloxy chain (Cn-1H2n-1COO-, n = 8, 10, 12, 14, 16, 18) was synthesized and characterized. Whilst n-octanoyloxy to n-dodecanoyloxy derivatives exhibited enantiotropic smectic A and smectic B phases, n-tetradecanoyloxy to n-octadecanoyloxy derivatives possessed enantiotropic smectic A and monotropic smectic B properties. n-Decanoyloxy derivatives demonstrated the optimum exhibition for both smectic A and smectic B phases. It was found that the length of terminal alkanoyloxy chain has an influence on mesomorphic properties. (C) 2011 Sie Tiong Ha. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2011.10.022

文献信息

• Ha, Sie-Tiong; Lee, Teck-Leong; Lin, Hong-Cheu, Asian Journal of Chemistry, 2012, vol. 24, # 8, p. 3679 - 3684
  作者：Ha, Sie-Tiong、Lee, Teck-Leong、Lin, Hong-Cheu、Ito, Masato M.、Abe, Kazuma、Kubo, Kenji、Sastry, S. Sreehari

  DOI：——

  日期：——